Information card for entry 2008146

Structure parameters

• Formula: C12 H10 N2 O6
• Calculated formula: C12 H10 N2 O6
• SMILES: O=n1ccc(N(=O)=O)cc1.Oc1cccc(C(=O)O)c1
• Title of publication: A 1:1 complex of 4-nitropyridine <i>N</i>-oxide and 3-hydroxybenzoic acid
• Authors of publication: Moreno-Fuquen, Rodolfo; Valderrama-Naranjo, Jaime; Montaño, Angela Marcela
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 218 - 220
• a: 6.5453 ± 0.0006 Å
• b: 7.5995 ± 0.0008 Å
• c: 24.855 ± 0.003 Å
• α: 90°
• β: 95.46 ± 0.02°
• γ: 90°
• Cell volume: 1230.7 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for all reflections: 1.114
• Goodness-of-fit parameter for significantly intense reflections: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No